AG17263
518047-40-0 | tert-Butyl 3-cyanomorpholine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG17263
ChemicalName
tert-Butyl 3-cyanomorpholine-4-carboxylate
CasNumber
518047-40-0
MolecularFormula
C10H16N2O3
MolecularWeight
212.2456
MdlNumber
MFCD09863125
Smiles
N#CC1COCCN1C(=O)OC(C)(C)C
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AG17263
ChemicalName: tert-Butyl 3-cyanomorpholine-4-carboxylate
CasNumber: 518047-40-0
MolecularFormula: C10H16N2O3
MolecularWeight: 212.2456
MdlNumber: MFCD09863125
Smiles: N#CC1COCCN1C(=O)OC(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AG17263
ChemicalName:
tert-Butyl 3-cyanomorpholine-4-carboxylate
CasNumber:
518047-40-0
MolecularFormula:
C10H16N2O3
MolecularWeight:
212.2456
MdlNumber:
MFCD09863125
Smiles:
N#CC1COCCN1C(=O)OC(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
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Smiles: CC[C@@H]([C@@H](N(C(=O)OC(C)(C)C)C)C(=O)O)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
CC[C@@H]([C@@H](N(C(=O)OC(C)(C)C)C)C(=O)O)C
Complexity:
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HeavyAtomCount:
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UndefinedAtomStereocenterCount:
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Smiles: Cc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[Na+]
Complexity: __
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Smiles:
Cc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[Na+]
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCCN1C(=CC=CC=Cc2sc3c([n+]2CCC)cccc3)Sc2c1cccc2.[I-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCN1C(=CC=CC=Cc2sc3c([n+]2CCC)cccc3)Sc2c1cccc2.[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__